2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine

C16H20F3N — CID 123404446

IUPAC2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C1CCC(c2ccccc2C)C(C)N1CC(F)(F)F
InChIInChI=1S/C16H20F3N/c1-11-6-4-5-7-14(11)15-9-8-12(2)20(13(15)3)10-16(17,18)19/h4-7,13,15H,2,8-10H2,1,3H3
InChIKeyMCFGSNLHQUMCAU-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.64
Rot. Bonds2

About 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine

2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 123404446) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID123404446
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C1CCC(c2ccccc2C)C(C)N1CC(F)(F)F
InChIInChI=1S/C16H20F3N/c1-11-6-4-5-7-14(11)15-9-8-12(2)20(13(15)3)10-16(17,18)19/h4-7,13,15H,2,8-10H2,1,3H3
InChIKeyMCFGSNLHQUMCAU-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine (CID 123404446) is 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine is C=C1CCC(c2ccccc2C)C(C)N1CC(F)(F)F.
What is the InChIKey of 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is MCFGSNLHQUMCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-11-6-4-5-7-14(11)15-9-8-12(2)20(13(15)3)10-16(17,18)19/h4-7,13,15H,2,8-10H2,1,3H3.
What are the key properties of 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine?
2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 283.34 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylidene-3-(2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 123404446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).